#------------------------------------------------------------------------------
#$Date: 2016-10-08 01:18:24 +0300 (Sat, 08 Oct 2016) $
#$Revision: 187121 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/03/7040338.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7040338
loop_
_publ_author_name
'Dau, Thuy Minh'
'Asamoah, Benjamin Darko'
'Belyaev, Andrey'
'Chakkaradhari, Gomathy'
'Hirva, Pipsa'
'Jänis, Janne'
'Grachova, Elena V.'
'Tunik, Sergey P.'
'Koshevoy, Igor O.'
_publ_section_title
;
 Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in
 luminescent Cu, Ag and Au complexes.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14160
_journal_page_last               14173
_journal_paper_doi               10.1039/c6dt02435a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C84 H68 Cu2 O2 P6, 2(F6 P), 2(C3 H6 O)'
_chemical_formula_sum            'C90 H78 Cu2 F12 O4 P8'
_chemical_formula_weight         1826.36
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-06-13 deposited with the CCDC.
2016-08-05 downloaded from the CCDC.
;
_cell_angle_alpha                97.099(3)
_cell_angle_beta                 113.456(2)
_cell_angle_gamma                109.776(3)
_cell_formula_units_Z            1
_cell_length_a                   13.4125(6)
_cell_length_b                   13.7925(11)
_cell_length_c                   13.9044(6)
_cell_measurement_reflns_used    9952
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      32.97
_cell_measurement_theta_min      2.25
_cell_volume                     2118.8(2)
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_molecular_graphics    'Diamond v.3.2g (Brandenburg, 2011)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       '62mm x 62mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II DUO CCD'
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_radiation_monochromator  'curved graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0257
_diffrn_reflns_av_unetI/netI     0.0253
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            39128
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         1.806
_exptl_absorpt_coefficient_mu    0.730
_exptl_absorpt_correction_T_max  0.969
_exptl_absorpt_correction_T_min  0.916
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.431
_exptl_crystal_description       block
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.224
_exptl_crystal_size_mid          0.096
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.060
_refine_diff_density_min         -1.152
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     500
_refine_ls_number_reflns         9187
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0568P)²+3.3671P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1112
_refine_ls_wR_factor_ref         0.1182
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7606
_reflns_number_total             9187
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt02435a2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7040337--7040350.cif.'
_cod_database_code               7040338
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.854
_shelx_estimated_absorpt_t_max   0.944
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8103(2) 0.2648(2) 0.8493(2) 0.0214(5) Uani 1 1 d . . . . .
C2 C 0.8445(3) 0.1993(3) 0.9125(2) 0.0265(6) Uani 1 1 d . . . . .
H2 H 0.7861 0.1314 0.9034 0.032 Uiso 1 1 calc R U . . .
C3 C 0.9639(3) 0.2338(3) 0.9885(2) 0.0377(8) Uani 1 1 d . . . . .
H3 H 0.9868 0.1898 1.0324 0.045 Uiso 1 1 calc R U . . .
C4 C 1.0499(3) 0.3315(3) 1.0010(3) 0.0453(9) Uani 1 1 d . . . . .
H4 H 1.1317 0.3543 1.0530 0.054 Uiso 1 1 calc R U . . .
C5 C 1.0173(3) 0.3957(3) 0.9385(3) 0.0434(9) Uani 1 1 d . . . . .
H5 H 1.0767 0.4626 0.9467 0.052 Uiso 1 1 calc R U . . .
C6 C 0.8970(3) 0.3632(2) 0.8626(3) 0.0313(7) Uani 1 1 d . . . . .
H6 H 0.8746 0.4084 0.8202 0.038 Uiso 1 1 calc R U . . .
C7 C 0.6373(2) 0.3269(2) 0.7031(2) 0.0191(5) Uani 1 1 d . . . . .
C8 C 0.6431(3) 0.4102(2) 0.7759(2) 0.0272(6) Uani 1 1 d . . . . .
H8 H 0.6548 0.4062 0.8471 0.033 Uiso 1 1 calc R U . . .
C9 C 0.6318(3) 0.4992(2) 0.7440(3) 0.0315(7) Uani 1 1 d . . . . .
H9 H 0.6353 0.5560 0.7934 0.038 Uiso 1 1 calc R U . . .
C10 C 0.6154(3) 0.5054(2) 0.6410(3) 0.0312(7) Uani 1 1 d . . . . .
H10 H 0.6087 0.5669 0.6201 0.037 Uiso 1 1 calc R U . . .
C11 C 0.6087(3) 0.4228(3) 0.5677(3) 0.0326(7) Uani 1 1 d . . . . .
H11 H 0.5969 0.4270 0.4966 0.039 Uiso 1 1 calc R U . . .
C12 C 0.6194(3) 0.3334(2) 0.5993(2) 0.0252(6) Uani 1 1 d . . . . .
H12 H 0.6144 0.2763 0.5492 0.030 Uiso 1 1 calc R U . . .
C13 C 0.5661(2) 0.1599(2) 0.8084(2) 0.0165(5) Uani 1 1 d . . . . .
C14 C 0.4523(2) 0.0700(2) 0.75324(19) 0.0155(5) Uani 1 1 d . . . . .
C15 C 0.3938(2) 0.0292(2) 0.8127(2) 0.0202(5) Uani 1 1 d . . . . .
H15 H 0.3189 -0.0326 0.7764 0.024 Uiso 1 1 calc R U . . .
C16 C 0.4444(3) 0.0785(2) 0.9252(2) 0.0248(6) Uani 1 1 d . . . . .
H16 H 0.4044 0.0496 0.9652 0.030 Uiso 1 1 calc R U . . .
C17 C 0.5520(3) 0.1689(2) 0.9781(2) 0.0247(6) Uani 1 1 d . . . . .
H17 H 0.5847 0.2045 1.0539 0.030 Uiso 1 1 calc R U . . .
C18 C 0.6133(2) 0.2084(2) 0.9204(2) 0.0207(5) Uani 1 1 d . . . . .
H18 H 0.6887 0.2696 0.9581 0.025 Uiso 1 1 calc R U . . .
C19 C 0.3384(2) 0.12610(19) 0.5618(2) 0.0150(5) Uani 1 1 d . . . . .
C20 C 0.3521(2) 0.2092(2) 0.6413(2) 0.0185(5) Uani 1 1 d . . . . .
H20 H 0.3777 0.2060 0.7147 0.022 Uiso 1 1 calc R U . . .
C21 C 0.3295(2) 0.2962(2) 0.6163(2) 0.0206(5) Uani 1 1 d . . . . .
H21 H 0.3379 0.3509 0.6715 0.025 Uiso 1 1 calc R U . . .
C25 C 0.2249(2) -0.0918(2) 0.5661(2) 0.0165(5) Uani 1 1 d . . . . .
C26 C 0.2115(2) -0.1983(2) 0.5452(2) 0.0212(5) Uani 1 1 d . . . . .
H26 H 0.2785 -0.2130 0.5543 0.025 Uiso 1 1 calc R U . . .
C27 C 0.1005(3) -0.2829(2) 0.5112(2) 0.0262(6) Uani 1 1 d . . . . .
H27 H 0.0912 -0.3554 0.4957 0.031 Uiso 1 1 calc R U . . .
C28 C 0.0032(3) -0.2614(2) 0.4998(2) 0.0260(6) Uani 1 1 d . . . . .
H28 H -0.0728 -0.3192 0.4765 0.031 Uiso 1 1 calc R U . . .
C29 C 0.0165(2) -0.1558(2) 0.5224(2) 0.0234(6) Uani 1 1 d . . . . .
H29 H -0.0501 -0.1414 0.5156 0.028 Uiso 1 1 calc R U . . .
C30 C 0.1265(2) -0.0709(2) 0.5549(2) 0.0188(5) Uani 1 1 d . . . . .
H30 H 0.1350 0.0013 0.5696 0.023 Uiso 1 1 calc R U . . .
C31 C 0.9040(2) 0.0585(2) 0.70876(19) 0.0162(5) Uani 1 1 d . . . . .
C32 C 0.9490(2) 0.1695(2) 0.7237(2) 0.0202(5) Uani 1 1 d . . . . .
H32 H 0.8959 0.2036 0.7093 0.024 Uiso 1 1 calc R U . . .
C33 C 1.0698(3) 0.2308(2) 0.7594(2) 0.0266(6) Uani 1 1 d . . . . .
H33 H 1.0993 0.3062 0.7688 0.032 Uiso 1 1 calc R U . . .
C34 C 1.1474(3) 0.1815(3) 0.7811(2) 0.0294(6) Uani 1 1 d . . . . .
H34 H 1.2305 0.2233 0.8062 0.035 Uiso 1 1 calc R U . . .
C35 C 1.1042(2) 0.0719(3) 0.7664(2) 0.0272(6) Uani 1 1 d . . . . .
H35 H 1.1582 0.0388 0.7818 0.033 Uiso 1 1 calc R U . . .
C36 C 0.9829(2) 0.0092(2) 0.7295(2) 0.0214(5) Uani 1 1 d . . . . .
H36 H 0.9538 -0.0665 0.7184 0.026 Uiso 1 1 calc R U . . .
C37 C 0.7030(2) -0.13052(19) 0.5477(2) 0.0142(5) Uani 1 1 d . . . . .
C38 C 0.7213(2) -0.2207(2) 0.5705(2) 0.0179(5) Uani 1 1 d . . . . .
H38 H 0.7452 -0.2261 0.6431 0.021 Uiso 1 1 calc R U . . .
C39 C 0.2946(2) 0.3026(2) 0.5106(2) 0.0205(5) Uani 1 1 d . . . . .
H39 H 0.2815 0.3632 0.4933 0.025 Uiso 1 1 calc R U . . .
C43 C 0.7296(2) -0.0795(2) 0.7652(2) 0.0175(5) Uani 1 1 d . . . . .
C44 C 0.8256(3) -0.0712(2) 0.8604(2) 0.0259(6) Uani 1 1 d . . . . .
H44 H 0.9056 -0.0328 0.8734 0.031 Uiso 1 1 calc R U . . .
C45 C 0.8042(3) -0.1194(3) 0.9370(2) 0.0318(7) Uani 1 1 d . . . . .
H45 H 0.8699 -0.1135 1.0022 0.038 Uiso 1 1 calc R U . . .
C46 C 0.6891(3) -0.1752(3) 0.9189(3) 0.0347(7) Uani 1 1 d . . . . .
H46 H 0.6753 -0.2085 0.9711 0.042 Uiso 1 1 calc R U . . .
C47 C 0.5932(3) -0.1832(3) 0.8247(3) 0.0416(8) Uani 1 1 d . . . . .
H47 H 0.5134 -0.2219 0.8122 0.050 Uiso 1 1 calc R U . . .
C48 C 0.6133(3) -0.1348(3) 0.7487(2) 0.0306(6) Uani 1 1 d . . . . .
H48 H 0.5471 -0.1394 0.6847 0.037 Uiso 1 1 calc R U . . .
O4 O 0.0767(2) 0.2542(2) 0.2538(2) 0.0460(6) Uani 1 1 d . . . . .
C51 C 0.0054(3) 0.2910(3) 0.2476(3) 0.0445(5) Uani 1 1 d . . . . .
C52 C -0.1261(3) 0.2197(3) 0.2004(3) 0.0445(5) Uani 1 1 d . . . . .
H52A H -0.1690 0.2644 0.2025 0.067 Uiso 1 1 calc R U . . .
H52B H -0.1575 0.1781 0.1242 0.067 Uiso 1 1 calc R U . . .
H52C H -0.1376 0.1702 0.2438 0.067 Uiso 1 1 calc R U . . .
O1 O 0.56500(15) 0.02842(14) 0.44179(14) 0.0150(3) Uani 1 1 d . . . . .
C53 C 0.0450(3) 0.4097(3) 0.2881(3) 0.0445(5) Uani 1 1 d . . . . .
H53A H -0.0249 0.4244 0.2763 0.067 Uiso 1 1 calc R U . . .
H53B H 0.1022 0.4365 0.3667 0.067 Uiso 1 1 calc R U . . .
H53C H 0.0838 0.4463 0.2479 0.067 Uiso 1 1 calc R U . . .
F1 F 0.7632(3) 0.5583(3) 0.2712(3) 0.0439(3) Uani 0.783(5) 1 d . . P A 1
F2 F 0.8628(3) 0.4689(3) 0.3624(3) 0.0439(3) Uani 0.783(5) 1 d . . P A 1
F3 F 0.7744(3) 0.4225(3) 0.1750(3) 0.0439(3) Uani 0.783(5) 1 d . . P A 1
F4 F 0.5950(3) 0.3937(2) 0.1667(3) 0.0439(3) Uani 0.783(5) 1 d . . P A 1
F5 F 0.7035(3) 0.3147(3) 0.2641(3) 0.0439(3) Uani 0.783(5) 1 d . . P A 1
F6 F 0.6839(3) 0.4516(2) 0.3530(3) 0.0439(3) Uani 0.783(5) 1 d . . P A 1
F1A F 0.7416(12) 0.5547(12) 0.2474(11) 0.0439(3) Uani 0.217(5) 1 d . U P A 2
F2A F 0.8700(12) 0.4921(9) 0.3482(11) 0.0439(3) Uani 0.217(5) 1 d . U P A 2
F3A F 0.7433(11) 0.3941(9) 0.1704(11) 0.0439(3) Uani 0.217(5) 1 d . U P A 2
F4A F 0.5968(10) 0.4165(9) 0.2026(10) 0.0439(3) Uani 0.217(5) 1 d . U P A 2
F5A F 0.6885(11) 0.3156(10) 0.2885(10) 0.0439(3) Uani 0.217(5) 1 d . U P A 2
F6A F 0.7384(11) 0.4847(9) 0.3987(10) 0.0439(3) Uani 0.217(5) 1 d . U P A 2
P1 P 0.74375(6) -0.01688(5) 0.66068(5) 0.01383(13) Uani 1 1 d . . . . .
P2 P 0.36817(5) 0.01512(5) 0.60474(5) 0.01305(13) Uani 1 1 d . . . . .
P3 P 0.65609(6) 0.20913(5) 0.73818(5) 0.01625(14) Uani 1 1 d . . . . .
P4 P 0.72974(8) 0.43682(7) 0.26852(8) 0.0357(2) Uani 1 1 d . . . . .
Cu1 Cu 0.62624(3) 0.07036(2) 0.61376(2) 0.01510(9) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C6 C1 C2 119.4(3) . .
C6 C1 P3 121.8(2) . .
C2 C1 P3 118.2(2) . .
C3 C2 C1 119.8(3) . .
C3 C2 H2 120.1 . .
C1 C2 H2 120.1 . .
C4 C3 C2 120.6(3) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
C5 C4 C3 120.0(3) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C4 C5 C6 120.3(3) . .
C4 C5 H5 119.8 . .
C6 C5 H5 119.8 . .
C1 C6 C5 119.9(3) . .
C1 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
C12 C7 C8 119.5(2) . .
C12 C7 P3 117.2(2) . .
C8 C7 P3 123.3(2) . .
C9 C8 C7 119.8(3) . .
C9 C8 H8 120.1 . .
C7 C8 H8 120.1 . .
C10 C9 C8 120.2(3) . .
C10 C9 H9 119.9 . .
C8 C9 H9 119.9 . .
C9 C10 C11 120.5(3) . .
C9 C10 H10 119.8 . .
C11 C10 H10 119.8 . .
C10 C11 C12 119.3(3) . .
C10 C11 H11 120.3 . .
C12 C11 H11 120.3 . .
C7 C12 C11 120.7(3) . .
C7 C12 H12 119.6 . .
C11 C12 H12 119.6 . .
C18 C13 C14 118.3(2) . .
C18 C13 P3 119.6(2) . .
C14 C13 P3 121.99(18) . .
C15 C14 C13 119.6(2) . .
C15 C14 P2 117.1(2) . .
C13 C14 P2 122.81(18) . .
C16 C15 C14 120.6(3) . .
C16 C15 H15 119.7 . .
C14 C15 H15 119.7 . .
C17 C16 C15 120.0(2) . .
C17 C16 H16 120.0 . .
C15 C16 H16 120.0 . .
C16 C17 C18 119.9(2) . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
C13 C18 C17 121.4(3) . .
C13 C18 H18 119.3 . .
C17 C18 H18 119.3 . .
C20 C19 C37 118.4(2) . 2_656
C20 C19 P2 117.52(18) . .
C37 C19 P2 123.99(18) 2_656 .
C21 C20 C19 121.8(2) . .
C21 C20 H20 119.1 . .
C19 C20 H20 119.1 . .
C39 C21 C20 119.5(2) . .
C39 C21 H21 120.3 . .
C20 C21 H21 120.3 . .
C26 C25 C30 119.5(2) . .
C26 C25 P2 118.94(19) . .
C30 C25 P2 121.60(19) . .
C27 C26 C25 120.1(2) . .
C27 C26 H26 119.9 . .
C25 C26 H26 119.9 . .
C28 C27 C26 119.9(3) . .
C28 C27 H27 120.0 . .
C26 C27 H27 120.0 . .
C29 C28 C27 120.2(3) . .
C29 C28 H28 119.9 . .
C27 C28 H28 119.9 . .
C28 C29 C30 120.4(3) . .
C28 C29 H29 119.8 . .
C30 C29 H29 119.8 . .
C29 C30 C25 119.9(2) . .
C29 C30 H30 120.0 . .
C25 C30 H30 120.0 . .
C32 C31 C36 118.9(2) . .
C32 C31 P1 118.44(19) . .
C36 C31 P1 122.6(2) . .
C33 C32 C31 121.0(3) . .
C33 C32 H32 119.5 . .
C31 C32 H32 119.5 . .
C34 C33 C32 119.6(3) . .
C34 C33 H33 120.2 . .
C32 C33 H33 120.2 . .
C35 C34 C33 120.1(3) . .
C35 C34 H34 120.0 . .
C33 C34 H34 120.0 . .
C34 C35 C36 120.9(3) . .
C34 C35 H35 119.5 . .
C36 C35 H35 119.5 . .
C35 C36 C31 119.4(3) . .
C35 C36 H36 120.3 . .
C31 C36 H36 120.3 . .
C38 C37 C19 118.8(2) . 2_656
C38 C37 P1 119.50(18) . .
C19 C37 P1 121.54(18) 2_656 .
C39 C38 C37 121.3(2) 2_656 .
C39 C38 H38 119.4 2_656 .
C37 C38 H38 119.4 . .
C21 C39 C38 120.0(2) . 2_656
C21 C39 H39 120.0 . .
C38 C39 H39 120.0 2_656 .
C44 C43 C48 119.1(2) . .
C44 C43 P1 124.7(2) . .
C48 C43 P1 116.1(2) . .
C43 C44 C45 119.8(3) . .
C43 C44 H44 120.1 . .
C45 C44 H44 120.1 . .
C46 C45 C44 120.5(3) . .
C46 C45 H45 119.7 . .
C44 C45 H45 119.7 . .
C45 C46 C47 119.9(3) . .
C45 C46 H46 120.0 . .
C47 C46 H46 120.0 . .
C46 C47 C48 120.1(3) . .
C46 C47 H47 120.0 . .
C48 C47 H47 120.0 . .
C47 C48 C43 120.5(3) . .
C47 C48 H48 119.7 . .
C43 C48 H48 119.7 . .
O4 C51 C53 121.1(3) . .
O4 C51 C52 121.6(4) . .
C53 C51 C52 117.3(3) . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
P2 O1 Cu1 119.42(10) 2_656 .
P2 O1 Cu1 119.39(10) 2_656 2_656
Cu1 O1 Cu1 98.76(7) . 2_656
C51 C53 H53A 109.5 . .
C51 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C51 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C43 P1 C31 106.59(12) . .
C43 P1 C37 103.46(11) . .
C31 P1 C37 102.16(11) . .
C43 P1 Cu1 111.51(8) . .
C31 P1 Cu1 118.23(8) . .
C37 P1 Cu1 113.47(8) . .
O1 P2 C25 109.10(11) 2_656 .
O1 P2 C14 111.52(10) 2_656 .
C25 P2 C14 109.61(11) . .
O1 P2 C19 116.80(10) 2_656 .
C25 P2 C19 106.42(11) . .
C14 P2 C19 103.06(11) . .
C7 P3 C1 103.99(13) . .
C7 P3 C13 108.03(11) . .
C1 P3 C13 102.72(12) . .
C7 P3 Cu1 121.76(9) . .
C1 P3 Cu1 109.10(8) . .
C13 P3 Cu1 109.51(8) . .
F3A P4 F4A 96.5(6) . .
F6 P4 F1 90.4(2) . .
F3A P4 F2A 93.3(7) . .
F4A P4 F2A 163.3(7) . .
F6 P4 F5 92.99(15) . .
F1 P4 F5 176.0(2) . .
F6 P4 F2 92.70(18) . .
F1 P4 F2 90.45(16) . .
F5 P4 F2 87.33(17) . .
F6 P4 F4 91.18(16) . .
F1 P4 F4 93.80(17) . .
F5 P4 F4 88.20(17) . .
F2 P4 F4 174.23(19) . .
F6 P4 F3 177.62(17) . .
F1 P4 F3 88.39(19) . .
F5 P4 F3 88.29(15) . .
F2 P4 F3 89.37(18) . .
F4 P4 F3 86.85(16) . .
F3A P4 F1A 95.4(7) . .
F4A P4 F1A 77.6(6) . .
F2A P4 F1A 88.0(6) . .
F3A P4 F5A 91.9(5) . .
F4A P4 F5A 91.0(6) . .
F2A P4 F5A 102.2(6) . .
F1A P4 F5A 167.1(7) . .
F3A P4 F6A 169.5(6) . .
F4A P4 F6A 93.6(5) . .
F2A P4 F6A 77.6(6) . .
F1A P4 F6A 89.6(6) . .
F5A P4 F6A 85.0(5) . .
O1 Cu1 O1 81.24(7) . 2_656
O1 Cu1 P3 134.94(5) . .
O1 Cu1 P3 98.99(5) 2_656 .
O1 Cu1 P1 99.45(5) . .
O1 Cu1 P1 114.99(5) 2_656 .
P3 Cu1 P1 120.02(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.388(4) .
C1 C2 1.399(4) .
C1 P3 1.829(3) .
C2 C3 1.386(4) .
C2 H2 0.9500 .
C3 C4 1.381(6) .
C3 H3 0.9500 .
C4 C5 1.371(6) .
C4 H4 0.9500 .
C5 C6 1.399(4) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C12 1.385(4) .
C7 C8 1.392(4) .
C7 P3 1.820(3) .
C8 C9 1.391(4) .
C8 H8 0.9500 .
C9 C10 1.379(5) .
C9 H9 0.9500 .
C10 C11 1.384(5) .
C10 H10 0.9500 .
C11 C12 1.392(4) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C18 1.394(3) .
C13 C14 1.417(4) .
C13 P3 1.849(3) .
C14 C15 1.396(4) .
C14 P2 1.814(2) .
C15 C16 1.395(4) .
C15 H15 0.9500 .
C16 C17 1.375(4) .
C16 H16 0.9500 .
C17 C18 1.395(4) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C20 1.398(3) .
C19 C37 1.415(3) 2_656
C19 P2 1.819(2) .
C20 C21 1.385(4) .
C20 H20 0.9500 .
C21 C39 1.378(4) .
C21 H21 0.9500 .
C25 C26 1.397(4) .
C25 C30 1.399(3) .
C25 P2 1.794(3) .
C26 C27 1.389(4) .
C26 H26 0.9500 .
C27 C28 1.388(4) .
C27 H27 0.9500 .
C28 C29 1.385(4) .
C28 H28 0.9500 .
C29 C30 1.385(4) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C32 1.396(4) .
C31 C36 1.400(4) .
C31 P1 1.822(3) .
C32 C33 1.385(4) .
C32 H32 0.9500 .
C33 C34 1.384(4) .
C33 H33 0.9500 .
C34 C35 1.378(4) .
C34 H34 0.9500 .
C35 C36 1.390(4) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37 C38 1.397(3) .
C37 C19 1.415(3) 2_656
C37 P1 1.831(2) .
C38 C39 1.387(4) 2_656
C38 H38 0.9500 .
C39 C38 1.387(4) 2_656
C39 H39 0.9500 .
C43 C44 1.389(4) .
C43 C48 1.391(4) .
C43 P1 1.820(3) .
C44 C45 1.396(4) .
C44 H44 0.9500 .
C45 C46 1.370(5) .
C45 H45 0.9500 .
C46 C47 1.382(5) .
C46 H46 0.9500 .
C47 C48 1.384(4) .
C47 H47 0.9500 .
C48 H48 0.9500 .
O4 C51 1.206(4) .
C51 C53 1.492(5) .
C51 C52 1.501(5) .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
O1 P2 1.5208(17) 2_656
O1 Cu1 2.1213(17) .
O1 Cu1 2.1976(17) 2_656
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
F1 P4 1.573(4) .
F2 P4 1.598(4) .
F3 P4 1.651(4) .
F4 P4 1.629(3) .
F5 P4 1.588(3) .
F6 P4 1.548(3) .
F1A P4 1.654(15) .
F2A P4 1.584(13) .
F3A P4 1.521(13) .
F4A P4 1.548(11) .
F5A P4 1.670(12) .
F6A P4 1.792(11) .
P1 Cu1 2.2397(7) .
P2 O1 1.5208(17) 2_656
P3 Cu1 2.2199(7) .
Cu1 O1 2.1976(17) 2_656
